about
Stable prenucleation mineral clusters are liquid-like ionic polymers.Computational techniques at the organic-inorganic interface in biomineralization.Single-Atom Scale Structural Selectivity in Te Nanowires Encapsulated Inside Ultranarrow, Single-Walled Carbon Nanotubes.Nucleation of NaCl from Aqueous Solution: Critical Sizes, Ion-Attachment Kinetics, and Rates.Metadynamics simulations of calcite crystallization on self-assembled monolayers.Sampling the structure of calcium carbonate nanoparticles with metadynamics.Langevin dynamics in constant pressure extended systems.Free energy and structure of calcium carbonate nanoparticles during early stages of crystallization.Testing the transferability of a coarse-grained model to intrinsically disordered proteins.New insight into the stability of CaCO3 surfaces and nanoparticles via molecular simulation.Nucleation barrier reconstruction via the seeding method in a lattice model with competing nucleation pathways.Enhancement of island size by dynamic substrate disorder in simulations of graphene growth.Folding kinetics of a polymer.Solid-liquid interfacial free energy of ice Ih, ice Ic, and ice 0 within a mono-atomic model of water via the capillary wave method.How does an amorphous surface influence molecular binding?--ovocleidin-17 and amorphous calcium carbonate.Encapsulated nanowires: Boosting electronic transport in carbon nanotubesStructural Control of Crystal Nuclei by an Eggshell ProteinElectronic Structure Control of Sub-nanometer 1D SnTe via Nanostructuring within Single-Walled Carbon NanotubesProtein binding on stepped calcite surfaces: simulations of ovocleidin-17 on calcite {31.16} and {31.8}Exploring the influence of organic species on pre- and post-nucleation calcium carbonateA multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoatesEmergence of order in self-assembly of the intrinsically disordered biomineralisation peptide n16NSimulations of Ovocleidin-17 Binding to Calcite Surfaces and Its Implications for Eggshell FormationNaCl nucleation from brine in seeded simulations: Sources of uncertainty in rate estimatesPhase diagram of germanium telluride encapsulated in carbon nanotubes from first-principles searchesEffect of oxygen and nitrogen functionalization on the physical and electronic structure of grapheneAutomated effective band structures for defective and mismatched supercellsCommunication: On the stability of ice 0, ice i, and IhCommunication: Thermodynamics of stacking disorder in ice nucleiZeroing in on iceLattice-switching Monte Carlo method for crystals of flexible moleculesDerivation of an Accurate Force-Field for Simulating the Growth of Calcium Carbonate from Aqueous Solution: A New Model for the Calcite−Water InterfaceGas hydrate nucleation and cage formation at a water/methane interfaceMetadynamics simulations of ice nucleation and growthConstant pressure Langevin dynamics: theory and applicationPhase behavior of a three-dimensional core-softened model systemProgression of phase behavior for a sequence of model core-softened potentialsThe role of nuclear quantum effects in the relative stability of hexagonal and cubic ice
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description
hulumtues
@sq
onderzoeker
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researcher
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ricercatore
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հետազոտող
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name
David Quigley
@ast
David Quigley
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David Quigley
@es
David Quigley
@nl
David Quigley
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type
label
David Quigley
@ast
David Quigley
@en
David Quigley
@es
David Quigley
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David Quigley
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prefLabel
David Quigley
@ast
David Quigley
@en
David Quigley
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David Quigley
@nl
David Quigley
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P214
P106
P21
P214
P31
P496
0000-0003-4750-4372
P735
P7859
lccn-nb2013011714